Understanding the mechanisms of anisotropic dissolution in metal oxides by applying radiolysis simulations to liquid-phase TEM

L Liu, M Sassi, X Zhang, E Nakouzi… - Proceedings of the …, 2023 - National Acad Sciences
Iron-based redox-active minerals are ubiquitous in soils, sediments, and aquatic systems.
Their dissolution is of great importance for microbial impacts on carbon cycling and the …

Solubilities in aqueous nitrate solutions that appear to reverse the law of mass action

JG Reynolds - Physical Chemistry Chemical Physics, 2021 - pubs.rsc.org
Non-ideal aqueous electrolyte solutions have been studied since the start of the application
of thermodynamics to chemistry in the late 19th century. The present study examines some …

Uranium sorption on oxyhydroxide minerals by surface complexation and precipitation

J Wang, W Zhou, Y Shi, Y Li, D Xian, N Guo… - Chinese Chemical …, 2022 - Elsevier
During the chemical weathering of the uranium mill tailings, released uranium could be
immobilized by the newly formed secondary minerals such as oxyhydroxides. A deeper …

Transitions in Al Coordination during Gibbsite Crystallization Using High-Field 27Al and 23Na MAS NMR Spectroscopy

JZ Hu, X Zhang, NR Jaegers, C Wan… - The Journal of …, 2017 - ACS Publications
Mechanisms of nucleation and growth of Al hydroxides such as gibbsite from aqueous
solution, particularly in highly alkaline conditions, remain poorly understood. In this work …

Machine learning with gradient-based optimization of nuclear waste vitrification with uncertainties and constraints

LGL Gunnell, K Manwaring, X Lu, J Reynolds, J Vienna… - Processes, 2022 - mdpi.com
Gekko is an optimization suite in Python that solves optimization problems involving mixed-
integer, nonlinear, and differential equations. The purpose of this study is to integrate …

Ab initio molecular dynamics reveal spectroscopic siblings and ion pairing as new challenges for elucidating prenucleation aluminum speciation

M Pouvreau, M Dembowski, SB Clark… - The Journal of …, 2018 - ACS Publications
The characterization of prenucleation species is essential to understand crystallization
mechanisms across many chemical systems and often involves the use of vibrational …

Gibbsite solubility in Hanford nuclear waste approached from above and below saturation

JG Reynolds, JK McCoskey… - Industrial & Engineering …, 2016 - ACS Publications
Liquid Hanford nuclear wastes are highly concentrated caustic aqueous electrolyte
solutions. They contain elevated dissolved aluminum concentrations compared to simple …

Ion–ion interactions enhance aluminum solubility in alkaline suspensions of nano-gibbsite (α-Al (OH) 3) with sodium nitrite/nitrate

M Dembowski, MM Snyder, CH Delegard… - Physical Chemistry …, 2020 - pubs.rsc.org
Despite widespread industrial importance, predicting metal solubilities in highly
concentrated, multicomponent aqueous solutions is difficult due to poorly understood ion …

Salt mineralogy of Hanford high-level nuclear waste staged for treatment

JG Reynolds, GA Cooke, DL Herting… - Industrial & …, 2013 - ACS Publications
The Hanford site near Richland Washington, United States, is staging some of its 56 million
gallons of high-level waste for treatment. Limited understanding of solids precipitated from …

The apparent reversal of the Law of Mass Action in concentrated multicomponent aqueous solutions

JG Reynolds, ET Nienhuis, ST Mergelsberg… - Journal of Molecular …, 2023 - Elsevier
Although it is well known that aqueous electrolyte solutions behave non-ideally, few are so
non-ideal that adding an electrolyte to a saturated solution with a common ion enhances …